bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate

C23H30O5 — CID 141186950

IUPACbis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate
SMILESCc1ccccc1-c1occ(C(=O)OCC(C)(C)C)c1C(=O)OCC(C)(C)C
InChIInChI=1S/C23H30O5/c1-15-10-8-9-11-16(15)19-18(21(25)28-14-23(5,6)7)17(12-26-19)20(24)27-13-22(2,3)4/h8-12H,13-14H2,1-7H3
InChIKeyRJUKTQSONOKKTE-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.66
Rot. Bonds5

About bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate

bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate (PubChem CID 141186950) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namebis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate
PubChem CID141186950
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Namebis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate
SMILESCc1ccccc1-c1occ(C(=O)OCC(C)(C)C)c1C(=O)OCC(C)(C)C
InChIInChI=1S/C23H30O5/c1-15-10-8-9-11-16(15)19-18(21(25)28-14-23(5,6)7)17(12-26-19)20(24)27-13-22(2,3)4/h8-12H,13-14H2,1-7H3
InChIKeyRJUKTQSONOKKTE-UHFFFAOYSA-N
XLogP5.66
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186952
dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
CID 14902064
2,2-dimethylpropyl 2-bromobenzoate
CID 603297
potassium 2-(2,2-dimethylpropoxycarbonyl)benzoate
CID 131740285
bis(2,2-dimethylpropyl) 2,5-dimethylthiophene-3,4-dicarboxylate
CID 140513738
2,2,3,3-tetramethylbutyl 2,6-dimethylbenzoate
CID 142470082
bis(2,2-dimethylpropyl) 2-methylthiophene-3,4-dicarboxylate
CID 140513739
2,2-dimethylpropyl 2-methylbenzenecarboperoxoate
CID 173265611
dibutyl 2-(4-methylphenyl)furan-3,4-dicarboxylate
CID 141236274
2-O-tert-butyl 1-O-(2,2-dimethylpropyl) 4,5-dimethylbenzene-1,2-dicarboxylate
CID 23502441
2-O-(2,2-dimethylpropyl) 1-O-(2-phenylethyl) benzene-1,2-dicarboxylate
CID 6421945
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate?
The IUPAC name of bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate (CID 141186950) is bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate.
What is the SMILES notation for bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate?
The canonical SMILES for bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate is Cc1ccccc1-c1occ(C(=O)OCC(C)(C)C)c1C(=O)OCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate?
The InChIKey is RJUKTQSONOKKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c1-15-10-8-9-11-16(15)19-18(21(25)28-14-23(5,6)7)17(12-26-19)20(24)27-13-22(2,3)4/h8-12H,13-14H2,1-7H3.
What are the key properties of bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate?
bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate has a molecular weight of 386.49 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropyl) 2-(2-methylphenyl)furan-3,4-dicarboxylate is sourced from PubChem (CID 141186950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).